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Geometric Graph Learning with Extended Atom-Types Features for
  Protein-Ligand Binding Affinity Prediction

Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity Prediction

15 January 2023
M. Rana
D. Nguyen
ArXiv (abs)PDFHTML

Papers citing "Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity Prediction"

4 / 4 papers shown
A Geometric Graph-Based Deep Learning Model for Drug-Target Affinity Prediction
A Geometric Graph-Based Deep Learning Model for Drug-Target Affinity Prediction
M. Rana
Farjana Tasnim Mukta
D. Nguyen
GNN
127
0
0
15 Sep 2025
PlayMolecule pKAce: Small Molecule Protonation through Equivariant
  Neural Networks
PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks
Nikolai Schapin
Maciej Majewski
Mariona Torrens-Fontanals
Gianni De Fabritiis
137
1
0
15 Jul 2024
Machine Learning Small Molecule Properties in Drug Discovery
Machine Learning Small Molecule Properties in Drug DiscoveryArtificial Intelligence Chemistry (AIC), 2023
Nikolai Schapin
Maciej Majewski
Alejandro Varela-Rial
C. Arroniz
Gianni De Fabritiis
161
29
0
02 Aug 2023
Graph Representation Learning for Interactive Biomolecule Systems
Graph Representation Learning for Interactive Biomolecule Systems
Xinye Xiong
Bingxin Zhou
Yu Guang Wang
AI4CEGNN
489
2
0
05 Apr 2023
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